Geometry & MOs

Info

ID:	407760
PubChem CID:	135080515
Reduced:	NOC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-41.9
Dipole, Da:	2.74
IP(EA), eV:	-9.17(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-butanoylazepine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC=NC=C1)N2CCOCC2

DOS

IR

Vibrations